2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide

C20H21N3O6S2 — CID 55965494

IUPAC2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1
InChIInChI=1S/C20H21N3O6S2/c1-12(2)22-30(26,27)16-8-4-14(5-9-16)21-19(24)13-3-10-17-18(11-13)31(28,29)23(20(17)25)15-6-7-15/h3-5,8-12,15,22H,6-7H2,1-2H3,(H,21,24)
InChIKeyRGVLEZJJIKXZJE-UHFFFAOYSA-N
MW463.54 g/mol
LogP1.93
Rot. Bonds6

About 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide

2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide (PubChem CID 55965494) has the molecular formula C20H21N3O6S2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide
PubChem CID55965494
Molecular FormulaC20H21N3O6S2
Molecular Weight463.54 g/mol
Exact Mass463.09
IUPAC Name2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1
InChIInChI=1S/C20H21N3O6S2/c1-12(2)22-30(26,27)16-8-4-14(5-9-16)21-19(24)13-3-10-17-18(11-13)31(28,29)23(20(17)25)15-6-7-15/h3-5,8-12,15,22H,6-7H2,1-2H3,(H,21,24)
InChIKeyRGVLEZJJIKXZJE-UHFFFAOYSA-N
XLogP1.93
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
N-(3-cyano-5-ethylthiophen-2-yl)-2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 55906198
2-cyclohexyl-1,1,3-trioxo-N-(1,3,4-thiadiazol-2-yl)-1,2-benzothiazole-6-carboxamide
CID 53277127
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
2-cyclopropyl-1,1,3-trioxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1,2-benzothiazole-6-carboxamide
CID 71685823
2-cyclopropyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 55824891
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 55967036
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
N-benzyl-2-cyclopropyl-1,1,3-trioxo-N-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 60524885
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 53276969
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide (CID 55965494) is 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1.
What is the InChIKey of 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide?
The InChIKey is RGVLEZJJIKXZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S2/c1-12(2)22-30(26,27)16-8-4-14(5-9-16)21-19(24)13-3-10-17-18(11-13)31(28,29)23(20(17)25)15-6-7-15/h3-5,8-12,15,22H,6-7H2,1-2H3,(H,21,24).
What are the key properties of 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide?
2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,1,3-trioxo-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 55965494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).